15-hydroxyhexadecanoic acid

C16H32O3 — CID 5312759

IUPAC15-hydroxyhexadecanoic acid
SMILESCC(O)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyWQPQDBIUAFINBH-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds14

About 15-hydroxyhexadecanoic acid

15-hydroxyhexadecanoic acid (PubChem CID 5312759) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 15-hydroxyhexadecanoic acid.

Molecular Properties

Compound Name15-hydroxyhexadecanoic acid
PubChem CID5312759
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name15-hydroxyhexadecanoic acid
SMILESCC(O)CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyWQPQDBIUAFINBH-UHFFFAOYSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-hydroxyhexadecanoic acid?
The IUPAC name of 15-hydroxyhexadecanoic acid (CID 5312759) is 15-hydroxyhexadecanoic acid.
What is the SMILES notation for 15-hydroxyhexadecanoic acid?
The canonical SMILES for 15-hydroxyhexadecanoic acid is CC(O)CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-hydroxyhexadecanoic acid?
The InChIKey is WQPQDBIUAFINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19).
What are the key properties of 15-hydroxyhexadecanoic acid?
15-hydroxyhexadecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.52, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxyhexadecanoic acid is sourced from PubChem (CID 5312759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).